在本論文第四章中,利用有機合成的方式對有機分子進行前置設計,有策略性的接上官能基化有機分子,並利用合成的配位基(ligand)為2,2'-磺醯基-4,4'-聯苯基二甲酸(2,2'-sulfone-biphenyl-4,4'-dicarboxylic acid, H2SBPDC),並合成出MOFs(Metal Organic Frameworks)孔洞材料,配位基與其MOFs的分子式分別為: [H2SBPDC]……………………………..(1) [Al(OH)(SBPDC)]…………...................(2) [Zr6O4(OH)4(SBPDC)4]…………...........(3) 以粉末X-ray繞射儀來鑑定其分子結構外,並利用SEM觀察材料尺寸,變溫PXRD、熱重分析、紅外光光譜、吸脫附儀,來探討化合物特性。 研究結果發現,接上磺酸官能基的化合物2 CO2吸附量,比未接上的官能基之等結構DUT-5佳,因所接上的磺酸官能基與CO2有酸鹼作用,也進一步透過密度泛函數理論計算加以證明。 在質子導電方面,化合物2的質子導電度為1.7510-8Scm-1,化合物3為1.6910-7Scm-1,證明我們合成的新穎材料在質子導電有進一步的應用。
Ligand-fuctinonalization as a Strategy for a series of porous metal-organic framework (MOFs) of [Al(OH)(SBPDC)] (2), [Zr6O4(OH)4(SBPDC)6] (3), (H2SBPDC =2,2'-sulfone-biphenyl-4,4'-dicarboxylic acid) were synthesized under solvothermal reactions. These complexes were also studied by the powder X-ray diffraction (PXRD), scanning electron microscopy, variable temperature PXRD, thermogravimetric analysis, Fourier transform infrared spectroscopy and gas adsorption measurement. The experimental results suggested that compound 2 with soulfon functionalization have more CO2 uptake than DUT-5. Further, the Density Functional Theory calculations proved that Soulfon group has acid-base interaction with CO2 . The Proton conductivity of 2 and 3 has also been measured which is found to be 1.7510-8 S cm-1 and 1.6910-7 S cm-1 respectly.